Package qsardes.descriptor.qsarwb

# Class QsarWBConstitutional

java.lang.Object
qsardes.descriptor.DescriptorConstitutional
qsardes.descriptor.qsarwb.QsarWBConstitutional

All Implemented Interfaces:
  `Descriptor`

public final class QsarWBConstitutional extends DescriptorConstitutional
Constitutional descriptors (QSAR-WB Descriptors).
Calculates constitutional descriptors.
Returns
S# - Sum of atomic #.
M# - Mean of atomic #.
# is Z = atomic number, v = van der Waals volume, se = Sanderson atomic electronegativity, pe = Pauling atomic electronegativity, are = Allred-Rochow atomic electronegativity, p = atomic polarizability, i = atomic first ionization potential,
Note: all weights are scaled by atom carbon.

- ## Constructor Summary

  Constructors
  Constructor
  Description
  `QsarWBConstitutional()`

- ## Method Summary

  Modifier and Type
  Method
  Description
  `protected List<Map<String,AtomConstFunctionCall>>`
  `get_weights_list()`

  ### Methods inherited from class qsardes.descriptor.DescriptorConstitutional

  `get_descriptor_names, get_descriptor_type, get_descriptor_values, toString`

  ### Methods inherited from class java.lang.Object

  `clone, equals, finalize, getClass, hashCode, notify, notifyAll, wait, wait, wait`

- ## Constructor Details

  - ### QsarWBConstitutional

    public QsarWBConstitutional()

- ## Method Details

  - ### get_weights_list

    protected List<Map<String,AtomConstFunctionCall>> get_weights_list()
    Specified by:
      `get_weights_list` in class `DescriptorConstitutional`